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Substance Name: Choline, iodide, isonicotinate
RN: 21106-18-3
InChIKey: MOKALTQIXDEHHJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N2-O2.I

Molecular Weight

  • 336.167
 
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Names and Synonyms

Synonyms

  • Ethanaminium, 2-((4-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, iodide
  • Isonicotinic acid ester with choline iodide
  • Pyridine-4-carboxylic acid ester with choline iodide

Systematic Name

  • Choline, iodide, isonicotinate

Registry Numbers

CAS Registry Number

  • 21106-18-3

System Generated Number

  • 0021106183

Molecular Formulas

Molecular Formula

  • C11-H17-N2-O2.I

Molecular Formula Fragments

  • C11-H17-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H17N2O2.HI/c1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1

InChIKey

MOKALTQIXDEHHJ-UHFFFAOYSA-M

Smiles

C(COC(=O)c1ccncc1)[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 92mg/kg (92mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archives Internationales de Pharmacodynamie et de Therapie. Vol. 176, Pg. 443, 1968.